(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione

C18H26N4O2 — CID 97084075

IUPAC(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ccccn3)C2)C1=O
InChIInChI=1S/C18H26N4O2/c1-13(2)22-16(23)18(3,20-17(22)24)14-7-6-10-21(11-14)12-15-8-4-5-9-19-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,20,24)/t14-,18-/m0/s1
InChIKeyWVSTYSIPLFZLAQ-KSSFIOAISA-N
MW330.43 g/mol
LogP2.01
Rot. Bonds4

About (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione

(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 97084075) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID97084075
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ccccn3)C2)C1=O
InChIInChI=1S/C18H26N4O2/c1-13(2)22-16(23)18(3,20-17(22)24)14-7-6-10-21(11-14)12-15-8-4-5-9-19-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,20,24)/t14-,18-/m0/s1
InChIKeyWVSTYSIPLFZLAQ-KSSFIOAISA-N
XLogP2.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 97084068
(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97084059
2-[3-(4-methyl-2,5-dioxo-1-propan-2-ylimidazolidin-4-yl)piperidin-1-yl]acetamide
CID 71927194
(5S)-3-propan-2-yl-7-(pyridin-2-ylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017720
(5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97318217
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
CID 59694740
CID 59694740
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
(5S)-3-propan-2-yl-7-(2-pyridin-2-ylethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 97017686
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione (CID 97084075) is (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione is CC(C)N1C(=O)N[C@@](C)([C@H]2CCCN(Cc3ccccn3)C2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is WVSTYSIPLFZLAQ-KSSFIOAISA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)22-16(23)18(3,20-17(22)24)14-7-6-10-21(11-14)12-15-8-4-5-9-19-15/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,20,24)/t14-,18-/m0/s1.
What are the key properties of (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 97084075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).